tert-butyl 2-ethylcyclopropane-1-carboxylate

C10H18O2 — CID 58558860

IUPACtert-butyl 2-ethylcyclopropane-1-carboxylate
SMILESCCC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyDHRHVLSNDPVWIQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl 2-ethylcyclopropane-1-carboxylate

tert-butyl 2-ethylcyclopropane-1-carboxylate (PubChem CID 58558860) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is tert-butyl 2-ethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethylcyclopropane-1-carboxylate
PubChem CID58558860
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nametert-butyl 2-ethylcyclopropane-1-carboxylate
SMILESCCC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyDHRHVLSNDPVWIQ-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-chloro-2-ethylcyclohexane-1-carboxylate
CID 169187536
cis-tert-butyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
CID 155978160
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
tert-butyl 2-(4-chlorobutyl)cyclopropane-1-carboxylate
CID 139889580
tert-butyl 2-(diethoxymethyl)cyclopropane-1-carboxylate
CID 139889594
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
2-(3-ethoxycarbonyl-4-ethylcyclopentyl)acetic acid;ethyl 2-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 161488616
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl 5-tert-butylbicyclo[2.2.1]heptane-2-carboxylate
CID 129175526
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 169232126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-ethylcyclopropane-1-carboxylate (CID 58558860) is tert-butyl 2-ethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethylcyclopropane-1-carboxylate is CCC1CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethylcyclopropane-1-carboxylate?
The InChIKey is DHRHVLSNDPVWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-ethylcyclopropane-1-carboxylate?
tert-butyl 2-ethylcyclopropane-1-carboxylate has a molecular weight of 170.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethylcyclopropane-1-carboxylate is sourced from PubChem (CID 58558860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).